CID 131701613

1-(bromomethyl)-1-fluoro-4,4-dimethylcyclohexane

Structural Information

Molecular Formula
C9H16BrF
SMILES
CC1(CCC(CC1)(CBr)F)C
InChI
InChI=1S/C9H16BrF/c1-8(2)3-5-9(11,7-10)6-4-8/h3-7H2,1-2H3
InChIKey
WSMKUWHOLKZXKP-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluoro-4,4-dimethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04923 141.0
[M+Na]+ 245.03117 151.5
[M-H]- 221.03467 146.0
[M+NH4]+ 240.07577 166.8
[M+K]+ 261.00511 141.3
[M+H-H2O]+ 205.03921 142.6
[M+HCOO]- 267.04015 158.1
[M+CH3COO]- 281.05580 186.1
[M+Na-2H]- 243.01662 148.2
[M]+ 222.04140 155.6
[M]- 222.04250 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.